%chk=000018230.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018230

0 1
 O  -0.3217000       1.306500      0.3415000    
 O    3.241600      -1.763300      0.8706000    
 O    2.037500      -1.922400      -1.062400    
 O   0.9101000       2.432100      -1.256200    
 N   -2.130900     -0.9091000      2.4000000E-02
 C  -0.7095000      -1.045600      0.5506000    
 C   0.1994000      3.2299999E-02 -3.7300002E-02
 C   -3.008300      -1.985200      0.6472000    
 C   -2.676800      0.4641000      0.3878000    
 C   -2.129000      -1.069700      -1.489300    
 C    1.657600     -8.4600002E-02  0.4101000    
 C    2.376800      -1.386100      2.7500000E-02
 C   0.3274000       2.387500     -0.1812000    
 C   0.2258000       3.543600      0.7670000    
 H  -0.3642000      -2.054500      0.2996000    
 H  -0.7656000     -0.9552000       1.642500    
 H   0.1962000     -3.4200002E-02  -1.130300    
 H   -3.010200      -1.843100       1.732000    
 H   -4.022300      -1.888300      0.2475000    
 H   -2.591300      -2.963000      0.3886000    
 H   -2.395500       1.208600     -0.3608000    
 H   -3.770700      0.3987000      0.3477000    
 H   -2.392700      0.7186000       1.413300    
 H   -1.677700     -0.1963000      -1.965500    
 H   -1.587600      -1.985400      -1.744600    
 H   -3.169700      -1.147800      -1.820600    
 H    2.271100      0.7243000     -2.4000001E-03
 H    1.703400      4.4199999E-02   1.500000    
 H   0.7026000       3.286500       1.716100    
 H  -0.8242000       3.804700      0.9213000    
 H   0.7411000       4.408900      0.3406000    


%chk=000018230-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018230

0 1
O 0.789703 1.583777 0.658772
O 2.495664 -2.978101 0.365740
O 0.415812 -2.411210 -0.537873
O -1.004938 2.368692 -0.597498
N -2.018568 -0.749330 -0.052282
C -0.801895 -0.336354 0.859230
C 0.503074 0.157379 0.187605
C -2.381486 -2.200122 0.282988
C -3.199671 0.166139 0.246662
C -1.720113 -0.686151 -1.552384
C 1.716224 -0.680593 0.592470
C 1.551104 -2.167927 0.099718
C -0.008439 2.592014 0.143418
C 0.480610 3.958650 0.564696
H -0.566496 -1.230559 1.451367
H -1.189176 0.450547 1.529354
H 0.418632 0.203574 -0.906790
H -2.644688 -2.262483 1.351411
H -3.243494 -2.498903 -0.335650
H -1.481458 -2.800970 0.051377
H -2.905273 1.196493 -0.003057
H -4.057641 -0.148331 -0.368694
H -3.460226 0.083704 1.314078
H -1.532947 0.361404 -1.828049
H -0.844567 -1.339120 -1.718907
H -2.610309 -1.066226 -2.080361
H 2.636285 -0.260446 0.150145
H 1.857823 -0.677497 1.689609
H 1.302813 4.272701 -0.104385
H 0.881402 3.933871 1.590301
H -0.335061 4.692177 0.481890


